methyl 2-[2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(6,7-dimethylbenzofuran-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(6,7-dimethyl-3-benzofuranyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(6,7-dimethylbenzofuran-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)C

InChI

InChI=1S/C22H23NO4S/c1-12-8-9-15-14(11-27-20(15)13(12)2)10-18(24)23-21-19(22(25)26-3)16-6-4-5-7-17(16)28-21/h8-9,11H,4-7,10H2,1-3H3,(H,23,24)